Trimebutine EP Impurity AHCl

C12H20ClNO — CID 3017189

IUPAC2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride
SMILESCCC(CO)(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeyIUWCMNVPMWVJRZ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.27
Rot. Bonds4

About Trimebutine EP Impurity AHCl

Trimebutine EP Impurity AHCl (PubChem CID 3017189) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride.

Molecular Properties

Compound NameTrimebutine EP Impurity AHCl
PubChem CID3017189
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride
SMILESCCC(CO)(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeyIUWCMNVPMWVJRZ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze Trimebutine EP Impurity AHCl with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Trimebutine EP Impurity AHCl?
The IUPAC name of Trimebutine EP Impurity AHCl (CID 3017189) is 2-(dimethylamino)-2-phenylbutan-1-ol;hydrochloride.
What is the SMILES notation for Trimebutine EP Impurity AHCl?
The canonical SMILES for Trimebutine EP Impurity AHCl is CCC(CO)(c1ccccc1)N(C)C.Cl.
What is the InChIKey of Trimebutine EP Impurity AHCl?
The InChIKey is IUWCMNVPMWVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H.
What are the key properties of Trimebutine EP Impurity AHCl?
Trimebutine EP Impurity AHCl has a molecular weight of 229.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Trimebutine EP Impurity AHCl is sourced from PubChem (CID 3017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).